3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one

C23H26F3N3O5 — CID 140530758

IUPAC3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCCC(Oc1ccc(-c2noc(=O)[nH]2)c(OC)c1)c1oc(C2(C(F)(F)F)CCCCC2)nc1C
InChIInChI=1S/C23H26F3N3O5/c1-4-16(32-14-8-9-15(17(12-14)31-3)19-28-21(30)34-29-19)18-13(2)27-20(33-18)22(23(24,25)26)10-6-5-7-11-22/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,28,29,30)
InChIKeyXPGUXIJVWYZGIV-UHFFFAOYSA-N
MW481.47 g/mol
LogP5.63
Rot. Bonds7

About 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one

3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 140530758) has the molecular formula C23H26F3N3O5 and a molecular weight of 481.47 g/mol. Its IUPAC name is 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID140530758
Molecular FormulaC23H26F3N3O5
Molecular Weight481.47 g/mol
Exact Mass481.18
IUPAC Name3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
SMILESCCC(Oc1ccc(-c2noc(=O)[nH]2)c(OC)c1)c1oc(C2(C(F)(F)F)CCCCC2)nc1C
InChIInChI=1S/C23H26F3N3O5/c1-4-16(32-14-8-9-15(17(12-14)31-3)19-28-21(30)34-29-19)18-13(2)27-20(33-18)22(23(24,25)26)10-6-5-7-11-22/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,28,29,30)
InChIKeyXPGUXIJVWYZGIV-UHFFFAOYSA-N
XLogP5.63
TPSA103.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.47
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one (CID 140530758) is 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one is CCC(Oc1ccc(-c2noc(=O)[nH]2)c(OC)c1)c1oc(C2(C(F)(F)F)CCCCC2)nc1C.
What is the InChIKey of 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XPGUXIJVWYZGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O5/c1-4-16(32-14-8-9-15(17(12-14)31-3)19-28-21(30)34-29-19)18-13(2)27-20(33-18)22(23(24,25)26)10-6-5-7-11-22/h8-9,12,16H,4-7,10-11H2,1-3H3,(H,28,29,30).
What are the key properties of 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one?
3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 481.47 g/mol, XLogP of 5.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-[1-[4-methyl-2-[1-(trifluoromethyl)cyclohexyl]-1,3-oxazol-5-yl]propoxy]phenyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 140530758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).